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Femtosecond study on the isomerization dynamics of NK88. I. Ground-state dynamics after photoexcitation.Femtosecond study on the isomerization dynamics of NK88. II. Excited-state dynamics.In vivo absorption spectra of the two stable states of the Euglena photoreceptor photocycle.Quantum dynamics of the ultrafast pi pi*/n pi* population transfer in uracil and 5-fluoro-uracil in water and acetonitrile.Tracking the excited-state time evolution of the visual pigment with multiconfigurational quantum chemistryInfluence of base stacking on excited-state behavior of polyadenine in water, based on time-dependent density functional calculations.Insights for an Accurate Comparison of Computational Data to Experimental Absorption and Emission Spectra: Beyond the Vertical Transition Approximation.An artificial molecular switch that mimics the visual pigment and completes its photocycle in picoseconds.Quantum Mechanical Studies on the Photophysics and the Photochemistry of Nucleic Acids and Nucleobases.Effective Time-Independent Calculations of Vibrational Resonance Raman Spectra of Isolated and Solvated Molecules Including Duschinsky and Herzberg-Teller Effects.First Principles Studies of the Vibrationally Resolved Magnetic Circular Dichroism Spectra of Biphenylene.Duschinsky, Herzberg-Teller, and Multiple Electronic Resonance Interferential Effects in Resonance Raman Spectra and Excitation Profiles. The Case of Pyrene.Harmonic Models in Cartesian and Internal Coordinates to Simulate the Absorption Spectra of Carotenoids at Finite Temperatures.Two-photon absorption circular-linear dichroism on axial enantiomers.The excited electronic states of adenine-guanine stacked dimers in aqueous solution: a PCM/TD-DFT study.Two-photon absorption circular dichroism: a new twist in nonlinear spectroscopy.Vibronic model for the quantum dynamical study of the competition between bright and charge-transfer excited states in single-strand polynucleotides: the adenine dimer case.Excited states decay of the A-T DNA: A PCM/TD-DFT study in aqueous solution of the (9-methyl-adenine)(2).(1-methyl-thymine)(2) stacked tetramer.Ultrafast resonance energy transfer in the umbelliferone-alizarin bichromophore.Quantum-classical effective-modes dynamics of the pipi* --> npi* decay in 9H-adenine. A quadratic vibronic coupling model.Intermolecular exciton coupling and vibronic effects in solid-state circular dichroism: a case study.On the controversial nature of the 1 1B(u) and 2 1B(u) states of trans-stilbene: the n-electron valence state perturbation theory approach.Theory for vibrationally resolved two-photon circular dichroism spectra. Application to (R)-(+)-3-methylcyclopentanone.Absorption spectrum of A-T DNA unraveled by quantum mechanical calculations in solution on the (dA)2 x (dT)2 tetramer.Controlling photochemistry via isotopomers and IR preexcitation.Vibronically resolved electronic circular dichroism spectra of (R)-(+)-3-methylcyclopentanone: a theoretical study.The decay from the dark npi* excited state in uracil: an integrated CASPT2/CASSCF and PCM/TD-DFT study in the gas phase and in water.A tiny excited-state barrier can induce a multiexponential decay of the retinal chromophore: a quantum dynamics investigation.Electronic circular dichroism in exciton-coupled dimers: vibronic spectra from a general all-coordinates quantum-dynamical approach.Accurate steady-state and zero-time fluorescence spectra of large molecules in solution by a first-principle computational method.Can TD-DFT calculations accurately describe the excited states behavior of stacked nucleobases? The cytosine dimer as a test case.Mixed Quantum/Classical Method for Nonadiabatic Quantum Dynamics in Explicit Solvent Models: The ππ*/nπ* Decay of Thymine in Water as a Test Case.Effective method for the computation of optical spectra of large molecules at finite temperature including the Duschinsky and Herzberg-Teller effect: the Qx band of porphyrin as a case study.Excitation Dynamics in Hetero-bichromophoric Calixarene Systems.The shape of the electronic circular dichroism spectrum of (2,6-dimethylphenyl)(phenyl)methanol: interplay between conformational equilibria and vibronic effects.High-Resolution Absorption and Electronic Circular Dichroism Spectra of (R)-(+)-1-Phenylethanol. Confident Interpretation Based on the Synergy between Experiments and Computations.TD-DFT investigation of the magnetic circular dichroism spectra of some purine and pyrimidine bases of nucleic acids.The lineshape of the electronic spectrum of the green fluorescent protein chromophore, part I: gas phase.A Combined Experimental-Computational Investigation to Uncover the Puzzling (Chiro-)optical Response of Pyridocyclophanes: One- and Two-Photon Spectra.The lineshape of the electronic spectrum of the green fluorescent protein chromophore, part II: solution phase.
P50
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P50
description
hulumtues
@sq
onderzoeker
@nl
researcher
@en
հետազոտող
@hy
name
Fabrizio Santoro
@ast
Fabrizio Santoro
@en
Fabrizio Santoro
@es
Fabrizio Santoro
@nl
Fabrizio Santoro
@sl
type
label
Fabrizio Santoro
@ast
Fabrizio Santoro
@en
Fabrizio Santoro
@es
Fabrizio Santoro
@nl
Fabrizio Santoro
@sl
prefLabel
Fabrizio Santoro
@ast
Fabrizio Santoro
@en
Fabrizio Santoro
@es
Fabrizio Santoro
@nl
Fabrizio Santoro
@sl
P106
P1153
7102973738
P21
P31
P496
0000-0003-4402-2685